N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

C13H18N4O2S — CID 1467765

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C13H18N4O2S/c1-2-7-17(13(19)11-9-20-16-15-11)8-12(18)14-10-5-3-4-6-10/h2,9-10H,1,3-8H2,(H,14,18)
InChIKeyVVBZJLHZXFKMLL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.23
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (PubChem CID 1467765) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
PubChem CID1467765
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1
InChIInChI=1S/C13H18N4O2S/c1-2-7-17(13(19)11-9-20-16-15-11)8-12(18)14-10-5-3-4-6-10/h2,9-10H,1,3-8H2,(H,14,18)
InChIKeyVVBZJLHZXFKMLL-UHFFFAOYSA-N
XLogP1.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylthiadiazole-4-carboxamide
CID 274293
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(2-methoxy-ethyl)-amide
CID 3219444
2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 49791390
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
CID 126793972
1,2,3-Thiadiazole-4-carboxamide,n-[2-(cyclopentylamino)-2-oxoethyl]-n-(3-methylbutyl)-
CID 3219343
N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide
CID 58945397
N-butylthiadiazole-4-carboxamide;propane
CID 161836508
N-[1-[[1-[2-(but-1-en-2-ylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-1-oxopropan-2-yl]thiadiazole-4-carboxamide
CID 167286625
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
1,2,3-Thiadiazole-4-carboxamide,n-[2-(cyclohexylamino)-2-oxoethyl]-n-2-propenyl-
CID 1467766
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219344

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (CID 1467765) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is C=CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The InChIKey is VVBZJLHZXFKMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-7-17(13(19)11-9-20-16-15-11)8-12(18)14-10-5-3-4-6-10/h2,9-10H,1,3-8H2,(H,14,18).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is sourced from PubChem (CID 1467765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).